CID 53677987

191544-79-3

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)N)C(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-8(10(15)17-4)5-9(13)7-14/h8-9H,5-7,13H2,1-4H3/t8-,9+/m1/s1
InChIKey
BEOGYMDIRWHZBM-BDAKNGLRSA-N
Compound name
1-O-tert-butyl 3-O-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

258.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.5
[M+Na]+ 281.14718 165.1
[M-H]- 257.15068 161.7
[M+NH4]+ 276.19178 175.7
[M+K]+ 297.12112 165.2
[M+H-H2O]+ 241.15522 154.1
[M+HCOO]- 303.15616 176.6
[M+CH3COO]- 317.17181 196.8
[M+Na-2H]- 279.13263 160.8
[M]+ 258.15741 159.1
[M]- 258.15851 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe